SCHEMBL3557971

SCHEMBL3557971

O=C(O)c1ccc(CCCc2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
GAA P10253 1/20 0.60
KMT2A Q03164 1/20 0.60
SLC16A3 O15427 5/20 0.59
ACLY P53396 1/20 0.53
TRPV1 Q8NER1 1/20 0.49
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.45
PKLR P30613 1/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
SLC40A1 Q9NP59 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3559926 0.94 SLC16A3 (0.67) MEN1GAAKMT2ASLC16A3ACLY
SCHEMBL3557237 0.92 SLC16A3 (0.59) MEN1GAAKMT2ASLC16A3ACLY
SCHEMBL3562402 0.91 SLC16A3 (0.63) MEN1GAAKMT2ASLC16A3ACLY
SCHEMBL3563699 0.89 SLC16A3 (0.60) MEN1GAAKMT2ASLC16A3ACLY
SCHEMBL3553504 0.87 MEN1 (0.73) MEN1GAAKMT2ASLC16A3ACLY
SCHEMBL3559742 0.87 SLC16A3 (0.62) MEN1KMT2ASLC16A3RAB9AKDM4E
SCHEMBL3557081 0.86 SLC16A3 (0.66) SLC16A3RAB9AKDM4EALDH1A1
SCHEMBL3564977 0.85 SLC16A3 (0.67) MEN1GAAKMT2ASLC16A3ACLY
SCHEMBL3553475 0.85 SLC16A3 (0.71) MEN1GAAKMT2ASLC16A3ACLY
SCHEMBL3555138 0.85 SLC16A3 (0.62) MEN1KMT2ASLC16A3RAB9AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US claimed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US claimed
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes SLC5A1, ALDH7A1, ASS1 MEN1 2548/4885GAA 1191/4885KMT2A 4045/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.